(3Z)-1-cyclohexyl-3-(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)urea

Systemtic Name: (3Z)-1-cyclohexyl-3-(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)urea Openeye Name: (3Z)-1-cyclohexyl-3-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)urea CAS Name: (3Z)-1-cyclohexyl-3-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)urea IUPAC Name: (3Z)-1-cyclohexyl-3-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)urea Traditional Name: (3Z)-1-cyclohexyl-3-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)urea Formula: C14H17N5O3 MolecularWeight: 303.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N=C2N=[N+](C3=CC=CC=C3N2O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)/N=C\2/N=[N+](C3=CC=CC=C3N2O)[O-]

InChI

InChI=1S/C14H17N5O3/c20-14(15-10-6-2-1-3-7-10)16-13-17-19(22)12-9-5-4-8-11(12)18(13)21/h4-5,8-10,21H,1-3,6-7H2,(H,15,20)/b16-13-